SCHEMBL301717

SCHEMBL301717

CC(C)(C)OC(=O)NCc1cccc(-c2ccncc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.56
AURKA O14965 1/20 0.55
EPHX1 P07099 2/20 0.54
ROCK2 O75116 7/20 0.51
ROCK1 Q13464 6/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C9 P11712 3/20 0.51
PRKACA P17612 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
PRKX P51817 1/20 0.51
PRKCQ Q04759 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
CYP17A1 P05093 2/20 0.50
BRD4 O60885 2/20 0.50
HDAC1 Q13547 1/20 0.50
CREBBP Q92793 1/20 0.50
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30504293 0.92 HDAC1 (0.56) BRD4HDAC1CREBBPCTSBCTSS
SCHEMBL18664426 0.89 HDAC1 (0.60) EPHX1BRD4HDAC1CREBBPCTSB
SCHEMBL15263999 0.87 AURKA (0.62) PRMT6AURKAEPHX1ROCK2ROCK1
SCHEMBL2568359 0.86 HDAC1 (0.56) BRD4HDAC1CREBBPCTSBCTSS
SCHEMBL16410240 0.85 BRD4 (0.53) BRD4HDAC1CREBBPCTSBCTSS
SCHEMBL506891 0.85 CYP17A1 (0.61) EPHX1ROCK2ROCK1CYP3A4PRKACA
SCHEMBL6242494 0.85 HDAC1 (0.55) BRD4HDAC1CREBBPCTSBCTSS
SCHEMBL18664572 0.85 GRM2 (0.54) BRD4HDAC1CREBBPCTSBCTSS
SCHEMBL2572109 0.84 HDAC1 (0.52) ROCK2ROCK1BRD4HDAC1CREBBP
SCHEMBL5549803 0.84 HDAC1 (0.60) BRD4HDAC1CREBBPCTSBCTSS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225825-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-08-29 US claimed
JP-4851440-B2 2012-01-11 JP claimed
EP-1723140-B1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-11-04 EP claimed
CN-101429194-A Process for the preparation of tryptase inhibitors AVENTIS PHARMA INC (US) 2009-05-13 CN claimed
US-20070197597-A1 Process for the preparation of tryptase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US claimed
CN-1950362-A Preparation method of tryptase inhibitor AVENTIS PHARMA INC (US) 2007-04-18 CN claimed
EP-1723140-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-11-22 EP claimed
WO-2005095385-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 WO claimed
EP-1571150-A1 Process for the preparation of tryptase inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP claimed
US-10654834-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2020-05-19 US disclosed
US-10654834-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2020-05-19 US disclosed
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2019-10-31 US disclosed
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2019-10-31 US disclosed
US-20130225825-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-08-29 US disclosed
US-20070197597-A1 Process for the preparation of tryptase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
US-20070197597-A1 Process for the preparation of tryptase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
CN-1950362-A Preparation method of tryptase inhibitor AVENTIS PHARMA INC (US) 2007-04-18 CN disclosed
EP-1723140-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-11-22 EP disclosed
WO-2005095385-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 WO disclosed
EP-1571150-A1 Process for the preparation of tryptase inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130225825-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS CMA1, TPSAB1, TPSB2 PRMT6 4101/4885AURKA 2918/4885EPHX1 497/4885
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, FFAR1, FFAR3 PRMT6 3894/4885AURKA 4736/4885EPHX1 2207/4885
US-10654834-B2 Non-systemic TGR5 agonists GPR119, SSTR5, FFAR3 PRMT6 3547/4885AURKA 4730/4885EPHX1 2240/4885
US-20070197597-A1 Process for the preparation of tryptase inhibitors CMA1, TPSAB1, TPSB2 PRMT6 4101/4885AURKA 2918/4885EPHX1 497/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.